4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride

C12H16ClN3OS — CID 119264601

IUPAC4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
SMILESCc1nc2ccc(NC(=O)CCCN)cc2s1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-8-14-10-5-4-9(7-11(10)17-8)15-12(16)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,15,16);1H
InChIKeyJVOJCGXGRGYQCN-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.70
Rot. Bonds4

About 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride

4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride (PubChem CID 119264601) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
PubChem CID119264601
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride
SMILESCc1nc2ccc(NC(=O)CCCN)cc2s1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-8-14-10-5-4-9(7-11(10)17-8)15-12(16)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,15,16);1H
InChIKeyJVOJCGXGRGYQCN-UHFFFAOYSA-N
XLogP2.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 79193199
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116
3-(4-chlorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 110443255
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 31529238
2-(1-aminocyclopentyl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64685410
3-(3,5-dimethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 9085555
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
CID 18152915
N-(2-methyl-1,3-benzothiazol-6-yl)-2-thiophen-3-ylacetamide
CID 2550244
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
CID 43702545

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride (CID 119264601) is 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride is Cc1nc2ccc(NC(=O)CCCN)cc2s1.Cl.
What is the InChIKey of 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride?
The InChIKey is JVOJCGXGRGYQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS.ClH/c1-8-14-10-5-4-9(7-11(10)17-8)15-12(16)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,15,16);1H.
What are the key properties of 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride?
4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide;hydrochloride is sourced from PubChem (CID 119264601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).